Geometry & MOs

Info

ID:	355427
PubChem CID:	127288490
Reduced:	O2N5C18H19 (1)
Stoich.:	A2B5C18D19 (1)
Weight, g/mol:	340.164774
ΔH_f, kcal/mol:	19.28
Dipole, Da:	8.63
IP(EA), eV:	-9.06(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-5-yl)-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)N=C(C=C2)C(=O)N3CCCC(C3)N4C=NC=N4

DOS

IR

Vibrations